4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one

C10H11N5O4 — CID 104585508

IUPAC4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H11N5O4/c11-9-7(3-6(4-13-9)15(18)19)10(17)14-2-1-12-8(16)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,16)
InChIKeyUSNLNBIMRVZSHO-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.86
Rot. Bonds2

About 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one

4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one (PubChem CID 104585508) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one
PubChem CID104585508
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H11N5O4/c11-9-7(3-6(4-13-9)15(18)19)10(17)14-2-1-12-8(16)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,16)
InChIKeyUSNLNBIMRVZSHO-UHFFFAOYSA-N
XLogP-0.86
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-5-nitropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 104588423
1-(2-amino-5-nitropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 104589155
(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 13063489
4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one
CID 103731995
(2-amino-5-nitro-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 104585562
(2-amino-5-nitro-3-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 104589545
(2-amino-5-nitro-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 104589005
4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one
CID 114034156
(2-amino-5-nitro-3-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104599392
4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one
CID 107120303
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(3-methyl-2-nitrobenzoyl)piperazin-2-one
CID 31094939

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one (CID 104585508) is 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one is Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one?
The InChIKey is USNLNBIMRVZSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c11-9-7(3-6(4-13-9)15(18)19)10(17)14-2-1-12-8(16)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,16).
What are the key properties of 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one?
4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one has a molecular weight of 265.23 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 104585508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).